SCHEMBL7326459

SCHEMBL7326459

COc1cc(O)cc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)c1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.62
ESR1 P03372 1/20 0.61
LMNA P02545 5/20 0.59
NR3C1 P04150 3/20 0.59
ALDH1A1 P00352 2/20 0.59
NPSR1 Q6W5P4 1/20 0.59
CNR1 P21554 2/20 0.56
CNR2 P34972 2/20 0.56
MAPT P10636 4/20 0.55
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
CYP11B1 P15538 1/20 0.53
GAA P10253 1/20 0.50
HTT P42858 1/20 0.50
PTPN1 P18031 1/20 0.49
NR1I2 O75469 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7335030 0.86 PGR (0.63) PGRESR1LMNANR3C1ALDH1A1
SCHEMBL7326548 0.81 NR3C1 (0.60) PGRESR1LMNANR3C1ALDH1A1
SCHEMBL8549652 0.81 ESR1 (0.66) PGRESR1LMNANR3C1ALDH1A1
SCHEMBL7360039 0.80 PGR (0.58) PGRLMNAALDH1A1MAPTMEN1
SCHEMBL5863377 0.79 NR3C1 (0.71) PGRESR1LMNANR3C1ALDH1A1
SCHEMBL6121815 0.78 PGR (0.73) PGRESR1LMNANR3C1ALDH1A1
SCHEMBL27593108 0.77 ESR1 (1.00) PGRESR1LMNANR3C1ALDH1A1
SCHEMBL5330652 0.74 ESR1 (0.78) PGRESR1LMNANR3C1ALDH1A1
SCHEMBL1279470 0.74 PTGES (0.80) PGRLMNANR3C1ALDH1A1NPSR1
SCHEMBL1279330 0.74 TAS2R14 (0.74) PGRLMNANR3C1ALDH1A1NPSR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0687253-B1 4-AMINOPYRIDINES, PROCESS FOR PREPARING THE SAME AND MEDICAMENTS CONTAINING THE SAME BOEHRINGER MANNHEIM GMBH (DE) 1998-12-16 EP disclosed
EP-0687253-A1 NEW 4-AMINOPYRIDINES, PROCESS FOR PREPARING THE SAME AND MEDICAMENTS CONTAINING THE SAME Roche Diagnostics GmbH (DE) 1995-12-20 EP disclosed
WO-1994020467-A1 NEW 4-AMINOPYRIDINES, PROCESS FOR PREPARING THE SAME AND MEDICAMENTS CONTAINING THE SAME BOEHRINGER MANNHEIM GMBH (DE) 1994-09-15 WO disclosed